(2,4-dimethylphenyl)methyl 4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

Systemtic Name: (2,4-dimethylphenyl)methyl 4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Openeye Name: (2,4-dimethylphenyl)methyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxylic acid (2,4-dimethylphenyl)methyl ester IUPAC Name: (2,4-dimethylphenyl)methyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid (2,4-dimethylbenzyl) ester Formula: C22H24F3NO3 MolecularWeight: 407.42607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)COC(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)C

InChI

InChI=1S/C22H24F3NO3/c1-15-6-7-17(16(2)12-15)14-29-20(27)26-10-8-21(28,9-11-26)18-4-3-5-19(13-18)22(23,24)25/h3-7,12-13,28H,8-11,14H2,1-2H3